2-ethoxyethyl (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[[diethoxyphosphoryl(phenyl)methyl]amino]-3-(methylthio)acrylic acid 2-ethoxyethyl ester Formula: C20H29N2O6PS MolecularWeight: 456.492821

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NC(C1=CC=CC=C1)P(=O)(OCC)OCC)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NC(C1=CC=CC=C1)P(=O)(OCC)OCC)/SC)/C#N

InChI

InChI=1S/C20H29N2O6PS/c1-5-25-13-14-26-20(23)17(15-21)19(30-4)22-18(16-11-9-8-10-12-16)29(24,27-6-2)28-7-3/h8-12,18,22H,5-7,13-14H2,1-4H3/b19-17+